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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2323490
CHEMBL2323490
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H14ClF3N2O5S

Additional synonyms for CHEMBL2323490 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(c1)c(CC(=O)NS(=O)(=O)C(F)(F)F)cn2C(=O)c3ccc(Cl)cc3
Standard InChI InChI=1S/C19H14ClF3N2O5S/c1-30-14-6-7-16-15(9-14)12(8-17(26) ...
Download InChI
Standard InChI Key LOPOBSJDASSEKN-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2323490

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
474.8 474.0264 3.5 5 94.47 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-2.07 - 4.49 2.49 3 31 0.61

Structural Alerts

There are 2 structural alerts for CHEMBL2323490. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LOPOBSJDASSEKN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2323490



BindingDB 50427621
Brenda 174851 216226 174511
PubChem 71550737
PubChem: Thomson Pharma 163550089
ZINC ZINC000095584463

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/LOPOBSJDASSEKN-UHFFFAOYSA-N spacer
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